(1R)-2-methyl-N-[(2S)-3-piperidin-4-ylbutan-2-yl]cyclohex-3-en-1-amine

C16H30N2 — CID 71219450

IUPAC(1R)-2-methyl-N-[(2S)-3-piperidin-4-ylbutan-2-yl]cyclohex-3-en-1-amine
SMILESCC(C1CCNCC1)[C@H](C)N[C@@H]1CCC=CC1C
InChIInChI=1S/C16H30N2/c1-12-6-4-5-7-16(12)18-14(3)13(2)15-8-10-17-11-9-15/h4,6,12-18H,5,7-11H2,1-3H3/t12?,13?,14-,16+/m0/s1
InChIKeyJWFJDHRHXXDGRP-VKJZCYHPSA-N
MW250.43 g/mol
LogP2.95
Rot. Bonds4

About (1R)-2-methyl-N-[(2S)-3-piperidin-4-ylbutan-2-yl]cyclohex-3-en-1-amine

(1R)-2-methyl-N-[(2S)-3-piperidin-4-ylbutan-2-yl]cyclohex-3-en-1-amine (PubChem CID 71219450) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is (1R)-2-methyl-N-[(2S)-3-piperidin-4-ylbutan-2-yl]cyclohex-3-en-1-amine.

Molecular Properties

Compound Name(1R)-2-methyl-N-[(2S)-3-piperidin-4-ylbutan-2-yl]cyclohex-3-en-1-amine
PubChem CID71219450
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name(1R)-2-methyl-N-[(2S)-3-piperidin-4-ylbutan-2-yl]cyclohex-3-en-1-amine
SMILESCC(C1CCNCC1)[C@H](C)N[C@@H]1CCC=CC1C
InChIInChI=1S/C16H30N2/c1-12-6-4-5-7-16(12)18-14(3)13(2)15-8-10-17-11-9-15/h4,6,12-18H,5,7-11H2,1-3H3/t12?,13?,14-,16+/m0/s1
InChIKeyJWFJDHRHXXDGRP-VKJZCYHPSA-N
XLogP2.95
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-methyl-N-[(2S)-3-piperidin-4-ylbutan-2-yl]cyclohex-3-en-1-amine?
The IUPAC name of (1R)-2-methyl-N-[(2S)-3-piperidin-4-ylbutan-2-yl]cyclohex-3-en-1-amine (CID 71219450) is (1R)-2-methyl-N-[(2S)-3-piperidin-4-ylbutan-2-yl]cyclohex-3-en-1-amine.
What is the SMILES notation for (1R)-2-methyl-N-[(2S)-3-piperidin-4-ylbutan-2-yl]cyclohex-3-en-1-amine?
The canonical SMILES for (1R)-2-methyl-N-[(2S)-3-piperidin-4-ylbutan-2-yl]cyclohex-3-en-1-amine is CC(C1CCNCC1)[C@H](C)N[C@@H]1CCC=CC1C.
What is the InChIKey of (1R)-2-methyl-N-[(2S)-3-piperidin-4-ylbutan-2-yl]cyclohex-3-en-1-amine?
The InChIKey is JWFJDHRHXXDGRP-VKJZCYHPSA-N. The full InChI is InChI=1S/C16H30N2/c1-12-6-4-5-7-16(12)18-14(3)13(2)15-8-10-17-11-9-15/h4,6,12-18H,5,7-11H2,1-3H3/t12?,13?,14-,16+/m0/s1.
What are the key properties of (1R)-2-methyl-N-[(2S)-3-piperidin-4-ylbutan-2-yl]cyclohex-3-en-1-amine?
(1R)-2-methyl-N-[(2S)-3-piperidin-4-ylbutan-2-yl]cyclohex-3-en-1-amine has a molecular weight of 250.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methyl-N-[(2S)-3-piperidin-4-ylbutan-2-yl]cyclohex-3-en-1-amine is sourced from PubChem (CID 71219450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).